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The number of hydrogen bonds between the thermolysin and the ligands designed in silico during 50 ns of molecular dynamics simulation. (A) Lig5H9 reference compound, (B) Lig783, (C) Lig1022, (D) Lig1392, (E) Lig2177, (F) Lig3444, and (G) Lig-6199.
